[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone

C18H21N3O3S — CID 131645055

IUPAC[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CC2(CC(CCOc3ncccn3)CCO2)C1
InChIInChI=1S/C18H21N3O3S/c22-16(15-4-9-25-11-15)21-12-18(13-21)10-14(3-8-24-18)2-7-23-17-19-5-1-6-20-17/h1,4-6,9,11,14H,2-3,7-8,10,12-13H2
InChIKeyLHZVSFNPMAFFFC-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.63
Rot. Bonds5

About [8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone

[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone (PubChem CID 131645055) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is [8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone
PubChem CID131645055
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CC2(CC(CCOc3ncccn3)CCO2)C1
InChIInChI=1S/C18H21N3O3S/c22-16(15-4-9-25-11-15)21-12-18(13-21)10-14(3-8-24-18)2-7-23-17-19-5-1-6-20-17/h1,4-6,9,11,14H,2-3,7-8,10,12-13H2
InChIKeyLHZVSFNPMAFFFC-UHFFFAOYSA-N
XLogP2.63
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

furan-3-yl-[(8S)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124795434
[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 133144911
(4-methyl-1,3-oxazol-5-yl)-[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 133140577
[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone
CID 131656071
(3,5-dimethyl-1,2-oxazol-4-yl)-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124835616
2-cyclopentyloxy-1-[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 131653717
(8R)-2-pyrimidin-2-yl-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124909678
(1-methylpyrazol-4-yl)-[8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 133142531
[(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone
CID 97485356
[8-[2-(pyridin-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone
CID 131639064
[8-[(6-methyl-2-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone
CID 131656394
cyclobutyl-[8-(2-pyridin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 131692822

Frequently Asked Questions

What is the IUPAC name of [8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone?
The IUPAC name of [8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone (CID 131645055) is [8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CC2(CC(CCOc3ncccn3)CCO2)C1.
What is the InChIKey of [8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone?
The InChIKey is LHZVSFNPMAFFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c22-16(15-4-9-25-11-15)21-12-18(13-21)10-14(3-8-24-18)2-7-23-17-19-5-1-6-20-17/h1,4-6,9,11,14H,2-3,7-8,10,12-13H2.
What are the key properties of [8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone?
[8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone has a molecular weight of 359.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 131645055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).